2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](COC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4/c31-26(18-27-14-16-28(17-15-27)21-10-12-22(13-11-21)30(32)33)29-23-8-4-5-9-25(23)34-19-24(29)20-6-2-1-3-7-20/h1-13,24H,14-19H2/p+1/t24-/m0/s1